SCHEMBL2221244

SCHEMBL2221244

NC(=O)/C=C\C(=O)Oc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.46
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
F2 P00734 2/20 0.44
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15431341 0.84 MAPT (0.42) PARP10PRSS1PRSS2PRSS3F2
SCHEMBL15431336 0.84 MAPT (0.42) PARP10PRSS1PRSS2PRSS3F2
SCHEMBL7459980 0.84 PARP10 (0.46) PARP10TDP1MAPTKDM4EGLA
SCHEMBL9360544 0.82 MAPT (0.51) MAPTKMT2ACYP3A4ALDH1A1HPGD
SCHEMBL9360679 0.82 LMNA (0.53) PARP10PRSS1TDP1MAPTGAA
SCHEMBL1485799 0.82 PARP10 (0.52) PARP10PRSS1MAPTTHRBKMT2A
SCHEMBL9360100 0.82 PRSS1 (0.49) PRSS1MAPTKDM4ETHRBKMT2A
SCHEMBL9248781 0.82 HPGD (0.48) PARP10PRSS1TDP1MAPTKDM4E
SCHEMBL3971553 0.81 PARP10 (0.52) PARP10MAPTKDM4EKMT2APKM
SCHEMBL10436481 0.81 ELANE (0.49) PARP10THRBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 US disclosed
WO-2011085039-A2 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES EP300, HDAC1, KAT2A PARP10 222/4885PRSS1 1166/4885PRSS2 1559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.